![CAS 1029715-21-6 Pyridine, 2-[(3S)-3-pyrrolidinyloxy]-, dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1029715-21-6.gif)
CAS RN: 1029715-21-6
Pyridine, 2-[(3S)-3-pyrrolidinyloxy]-, dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260504 | 1g / 5g / 10g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS1029715-21-6
- Purity/Analytical Methods: >99.0%
1029715-21-6 / 2-[(3S)-pyrrolidin-3-yl]oxypyridine;dihydrochloride
2-(pyrrolidin-3-yloxy)pyridine dihydrochloride | 2-(Pyrrolidin-3-yloxy)-pyridine dihydrochloride | MFCD15475006
Basic Information
CAS
1029715-21-6
Multi CAS
Yes
Molecular Formula
C9H14Cl2N2O
Molecular Weight
237.120000
Exact Mass
236.048319
SMILES
C1CNC[C@H]1OC2=CC=CC=N2.Cl.Cl
InChI
InChI=1S/C9H12N2O.2ClH/c1-2-5-11-9(3-1)12-8-4-6-10-7-8;;/h1-3,5,8,10H,4,6-7H2;2*1H/t8-;;/m0../s1
InChIKey
XCFDMDXPWYTJMB-JZGIKJSDSA-N
Synonyms
2-(pyrrolidin-3-yloxy)pyridine dihydrochloride
2-(Pyrrolidin-3-yloxy)-pyridine dihydrochloride
MFCD15475006
2-pyrrolidin-3-yloxypyridine;dihydrochloride
2-(3-PYRROLIDINYLOXY)-PYRIDINE HYDROCHLORIDE
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.64
TPSA
34.15
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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